Electron correlation effects in enhanced-ionization of molecules:A time-dependent generalized-active-space configuration-interaction study

Abstract

We numerically study models of ${\mathrm{H}}_2$ and $\mathrm{LiH}$ molecules, aligned collinearly with the linear polarization of the external field, to elucidate the possible role of correlation in the enhanced-ionization phenomena. Correlation is considered at different levels of approximation with the time-dependent generalized-active-space configuration-interaction method. The results of our studies show that enhanced ionization occurs in multielectron molecules, that correlation is important and they also demonstrate significant deviations between the results of the single-active-electron approximation and more accurate configuration-interaction methods. With the inclusion of correlation we show strong carrier-envelope-phase effects in the enhanced ionization of the asymmetric heteronuclear $\mathrm{LiH}$-like molecule. The correlated calculation shows an intriguing feature of cross-over in enhanced ionization with two carrier-envelope-phases at critical inter-nuclear separation.

11 pages, 11 figures

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Cited by in corpus (7)

• Strong Differential Photoion Circular Dichroism in Strong-Field Ionization of Chiral Molecules
• Impact of two-electron dynamics and correlations on high-order harmonic generation in He
• Electron correlation in beryllium: Effects in ground state, short-pulse photoionization and time-delay studies
• Correlation effects in strong-field ionization of heteronuclear diatomic molecules
• Effects of core space and excitation levels on ground-state correlation and photoionization dynamics of Be and Ne
• Electron correlation effects in enhanced-ionization of diatomic molecules in near-infrared fields
• Contribution of the pre-ionized H${}_2$ and the ionized H${}_2^{+}$ subsystems to the HHG Spectra of H${}_2$ in intense laser fields